10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C32H19N3 — CID 121298172

About 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 121298172) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 121298172
• Molecular Formula: C32H19N3
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.16
• IUPAC Name: 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cncc3cnccc23)c1
• InChI: InChI=1S/C32H19N3/c1-3-10-30-25(8-1)27-15-22(16-28-26-9-2-4-11-31(26)35(30)32(27)28)20-6-5-7-21(14-20)29-19-34-18-23-17-33-13-12-24(23)29/h1-19H
• InChIKey: OIOLFKWRERMIFZ-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 121298172) is 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cncc3cnccc23)c1.

What is the InChIKey of 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is OIOLFKWRERMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c1-3-10-30-25(8-1)27-15-22(16-28-26-9-2-4-11-31(26)35(30)32(27)28)20-6-5-7-21(14-20)29-19-34-18-23-17-33-13-12-24(23)29/h1-19H.

What are the key properties of 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 445.53 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 121298172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).